5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole

C11H20N4O2 — CID 71755474

IUPAC5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole
SMILESCOC(C)c1noc(CN2CCCNCC2)n1
InChIInChI=1S/C11H20N4O2/c1-9(16-2)11-13-10(17-14-11)8-15-6-3-4-12-5-7-15/h9,12H,3-8H2,1-2H3
InChIKeySEGDDMSNUIAXRI-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.57
Rot. Bonds4

About 5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole

5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 71755474) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole
PubChem CID71755474
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole
SMILESCOC(C)c1noc(CN2CCCNCC2)n1
InChIInChI=1S/C11H20N4O2/c1-9(16-2)11-13-10(17-14-11)8-15-6-3-4-12-5-7-15/h9,12H,3-8H2,1-2H3
InChIKeySEGDDMSNUIAXRI-UHFFFAOYSA-N
XLogP0.57
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole (CID 71755474) is 5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole is COC(C)c1noc(CN2CCCNCC2)n1.
What is the InChIKey of 5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is SEGDDMSNUIAXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9(16-2)11-13-10(17-14-11)8-15-6-3-4-12-5-7-15/h9,12H,3-8H2,1-2H3.
What are the key properties of 5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole?
5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 240.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepan-1-ylmethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71755474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).